3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C21H20N2O5 — CID 18075337

IUPAC3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1OC
InChIInChI=1S/C21H20N2O5/c1-27-17-8-7-14(11-18(17)28-2)16(24)12-23-19(25)21(22-20(23)26)10-9-13-5-3-4-6-15(13)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)
InChIKeyIQBHVDANNRHJLR-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.28
Rot. Bonds5

About 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 18075337) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID18075337
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1OC
InChIInChI=1S/C21H20N2O5/c1-27-17-8-7-14(11-18(17)28-2)16(24)12-23-19(25)21(22-20(23)26)10-9-13-5-3-4-6-15(13)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)
InChIKeyIQBHVDANNRHJLR-UHFFFAOYSA-N
XLogP2.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18097549
(4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2085965
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868
N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 16546260
N-[(3,4-dimethoxyphenyl)methyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 40795248
(4S)-3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2083944
3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3927055
(4R)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706160
2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 24677531
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33033622
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070

Frequently Asked Questions

What is the IUPAC name of 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 18075337) is 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is COc1ccc(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1OC.
What is the InChIKey of 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is IQBHVDANNRHJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-17-8-7-14(11-18(17)28-2)16(24)12-23-19(25)21(22-20(23)26)10-9-13-5-3-4-6-15(13)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,26).
What are the key properties of 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 380.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 18075337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).